trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride

C13H28ClN6O2+ — CID 54599883

IUPACtrimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride
SMILESCC(/C=N\NC(=O)C[N+](C)(C)C)=N/NC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C13H26N6O2.ClH/c1-11(15-17-13(21)10-19(5,6)7)8-14-16-12(20)9-18(2,3)4;/h8H,9-10H2,1-7H3;1H/p+1
InChIKeySETHNYSOGQXUKA-UHFFFAOYSA-O
MW335.86 g/mol
LogP-4.00
Rot. Bonds7

About trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride

trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride (PubChem CID 54599883) has the molecular formula C13H28ClN6O2+ and a molecular weight of 335.86 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride
PubChem CID54599883
Molecular FormulaC13H28ClN6O2+
Molecular Weight335.86 g/mol
Exact Mass335.20
IUPAC Nametrimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride
SMILESCC(/C=N\NC(=O)C[N+](C)(C)C)=N/NC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C13H26N6O2.ClH/c1-11(15-17-13(21)10-19(5,6)7)8-14-16-12(20)9-18(2,3)4;/h8H,9-10H2,1-7H3;1H/p+1
InChIKeySETHNYSOGQXUKA-UHFFFAOYSA-O
XLogP-4.00
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 5-4.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride?
The IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride (CID 54599883) is trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride.
What is the SMILES notation for trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride?
The canonical SMILES for trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride is CC(/C=N\NC(=O)C[N+](C)(C)C)=N/NC(=O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride?
The InChIKey is SETHNYSOGQXUKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H26N6O2.ClH/c1-11(15-17-13(21)10-19(5,6)7)8-14-16-12(20)9-18(2,3)4;/h8H,9-10H2,1-7H3;1H/p+1.
What are the key properties of trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride?
trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride has a molecular weight of 335.86 g/mol, XLogP of -4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride is sourced from PubChem (CID 54599883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).